(6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel

Systemtic Name: (6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel Openeye Name: (6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylene]cyclohexa-2,4-dien-1-one; nickel CAS Name: (6Z)-6-[[2-(1-aziridinyl)ethylamino]methylidene]-1-cyclohexa-2,4-dienone; nickel IUPAC Name: (6Z)-6-[[2-(aziridin-1-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel Traditional Name: (6Z)-6-[(2-ethyleniminoethylamino)methylene]cyclohexa-2,4-dien-1-one; nickel Formula: C22H28N4NiO2 MolecularWeight: 439.17672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCNC=C2C=CC=CC2=O.C1CN1CCNC=C2C=CC=CC2=O.[Ni]

Isomeric SMILES

C1N(C1)CCN/C=C/2\C(=O)C=CC=C2.C1N(C1)CCN/C=C/2\C(=O)C=CC=C2.[Ni]

InChI

InChI=1S/2C11H14N2O.Ni/c2*14-11-4-2-1-3-10(11)9-12-5-6-13-7-8-13;/h2*1-4,9,12H,5-8H2;/b2*10-9-;